CID 138395063

Dtxsid80897253

Structural Information

Molecular Formula
C9H9F9O5
SMILES
C([C@H]1[C@@H]([C@]([C@H](O1)O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)O)O
InChI
InChI=1S/C9H9F9O5/c10-6(11,7(12,13)8(14,15)9(16,17)18)5(22)3(20)2(1-19)23-4(5)21/h2-4,19-22H,1H2/t2-,3-,4-,5-/m0/s1
InChIKey
TUQKZNYBICDFSC-FCAWWPLPSA-N
Compound name
(2S,3S,4S,5S)-5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.03064 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03792 194.2
[M+Na]+ 391.01986 193.5
[M+NH4]+ 386.06446 192.9
[M+K]+ 406.99380 192.2
[M-H]- 367.02336 185.4
[M+Na-2H]- 389.00531 189.7
[M]+ 368.03009 191.2
[M]- 368.03119 191.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.